2.0 2012-08-09 09:25:10 -0600 2015-06-03 17:21:40 -0600 ECMDB21504 M2MDB001899 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose 6-phospho-beta-D-glucosyl-(1,4)-D-glucose is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates. 4-O-(6-O-phosphono-b-D-Glucopyranosyl)-b-D-glucopyranose 4-O-(6-O-Phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose 4-O-(6-O-phosphono-β-D-Glucopyranosyl)-β-D-glucopyranose 6-O-phosphono-b-D-Glucopyranosyl-(1Right4)-b-D-glucopyranose 6-O-Phosphono-beta-D-glucopyranosyl-(1right4)-beta-D-glucopyranose 6-O-phosphono-β-D-Glucopyranosyl-(1Right4)-β-D-glucopyranose 6-phospho-b-D-Glucosyl-(1,4)-D-glucose 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose 6-phospho-β-D-Glucosyl-(1,4)-D-glucose Cellobiose 6-phosphate Cellobiose 6-phosphoric acid C12H23O14P 422.2764 422.082541956 {[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxyphosphonic acid [H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 ITPHOIFCAFNCLL-QRZGKKJRSA-N Cytoplasm logp -2.42 ALOGPS logs -1.02 ALOGPS solubility 4.07e+01 g/l ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid ChemAxon average_mass 422.2764 ChemAxon mono_mass 422.082541956 ChemAxon smiles [H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C12H23O14P ChemAxon inchi InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 ChemAxon inchikey ITPHOIFCAFNCLL-QRZGKKJRSA-N ChemAxon polar_surface_area 236.06 ChemAxon refractivity 79.21 ChemAxon polarizability 35.7 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083669 Specdb::EiMs 5486 Specdb::NmrOneD 276698 Specdb::NmrOneD 276699 Specdb::NmrOneD 276700 Specdb::NmrOneD 276701 Specdb::NmrOneD 276702 Specdb::NmrOneD 276703 Specdb::NmrOneD 276704 Specdb::NmrOneD 276705 Specdb::NmrOneD 276706 Specdb::NmrOneD 276707 Specdb::NmrOneD 276708 Specdb::NmrOneD 276709 Specdb::NmrOneD 276710 Specdb::NmrOneD 276711 Specdb::NmrOneD 276712 Specdb::NmrOneD 276713 Specdb::NmrOneD 276714 Specdb::NmrOneD 276715 Specdb::NmrOneD 276716 Specdb::NmrOneD 276717 Specdb::MsMs 27554 Specdb::MsMs 27555 Specdb::MsMs 27556 Specdb::MsMs 34112 Specdb::MsMs 34113 Specdb::MsMs 34114 440376 389331 C04534 2233 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 6-phospho-beta-glucosidase BglB P11988 BGLB_ECOLI bglB http://ecmdb.ca/proteins/P11988.xml 6-phospho-beta-glucosidase P17411 CHBF_ECOLI chbF http://ecmdb.ca/proteins/P17411.xml 6-phospho-beta-glucosidase AscB P24240 ASCB_ECOLI ascB http://ecmdb.ca/proteins/P24240.xml 6-phospho-beta-glucosidase BglA Q46829 BGLA_ECOLI bglA http://ecmdb.ca/proteins/Q46829.xml 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose + Water > D-Glucose + Glucose 6-phosphate